2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;methyl hydrogen carbonate

C10H22N2O5 — CID 67621651

IUPAC2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;methyl hydrogen carbonate
SMILESCOC(=O)O.OCCN1CCN(CCO)CC1
InChIInChI=1S/C8H18N2O2.C2H4O3/c11-7-5-9-1-2-10(4-3-9)6-8-12;1-5-2(3)4/h11-12H,1-8H2;1H3,(H,3,4)
InChIKeyAKRCCGIKCSLDHY-UHFFFAOYSA-N
MW250.29 g/mol
LogP-1.10
Rot. Bonds4

About 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;methyl hydrogen carbonate

2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;methyl hydrogen carbonate (PubChem CID 67621651) has the molecular formula C10H22N2O5 and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;methyl hydrogen carbonate.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;methyl hydrogen carbonate
PubChem CID67621651
Molecular FormulaC10H22N2O5
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC Name2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;methyl hydrogen carbonate
SMILESCOC(=O)O.OCCN1CCN(CCO)CC1
InChIInChI=1S/C8H18N2O2.C2H4O3/c11-7-5-9-1-2-10(4-3-9)6-8-12;1-5-2(3)4/h11-12H,1-8H2;1H3,(H,3,4)
InChIKeyAKRCCGIKCSLDHY-UHFFFAOYSA-N
XLogP-1.10
TPSA93.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 4739629
2-[4-[2-[4,7-bis(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethyl]-7-(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethanol
CID 18512424
methyl 2-bromo-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoate
CID 81100700
methoxymethane;2-pyrrolidin-1-ylethanol
CID 142059876
2-[7-(2-amino-2-oxoethyl)-4,10-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 101001022
fluoro hypofluorite;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol
CID 70545422
methyl 2-ethyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]but-2-enoate
CID 77100759
4-(2-hydroxyethyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 108890532
4-[4-(2-hydroxyethyl)piperazin-1-yl]butanoic acid
CID 22683899
2-[7-(2-amino-2-oxoethyl)-4-(carboxymethyl)-10-(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 170255326
ethane;2-(4-methylpiperazin-1-yl)ethanol;vanadium
CID 176984837
2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]propanoic acid
CID 61202561

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;methyl hydrogen carbonate?
The IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;methyl hydrogen carbonate (CID 67621651) is 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;methyl hydrogen carbonate.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;methyl hydrogen carbonate?
The canonical SMILES for 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;methyl hydrogen carbonate is COC(=O)O.OCCN1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;methyl hydrogen carbonate?
The InChIKey is AKRCCGIKCSLDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2.C2H4O3/c11-7-5-9-1-2-10(4-3-9)6-8-12;1-5-2(3)4/h11-12H,1-8H2;1H3,(H,3,4).
What are the key properties of 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;methyl hydrogen carbonate?
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;methyl hydrogen carbonate has a molecular weight of 250.29 g/mol, XLogP of -1.10, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;methyl hydrogen carbonate is sourced from PubChem (CID 67621651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).